SCHEMBL6954561

SCHEMBL6954561

CC(C)(C)OC(=O)ON1CC=C(c2ccccn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 9/20 0.49
▸ GRM1 Q13255 9/20 0.49
▸ PPARG P37231 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.39
▸ AOC3 Q16853 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ DRD4 P21917 1/20 0.38
▸ PDK4 Q16654 1/20 0.38
▸ GPR119 Q8TDV5 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9023701 0.83 GRM1 (0.44) GRM5GRM1PPARGPPARASIGMAR1
SCHEMBL4251822 0.81 GRM5 (0.70) GRM5GRM1PDK4
SCHEMBL29559340 0.81 GRM5 (0.70) GRM5GRM1PDK4
SCHEMBL6953745 0.76 GRM5 (0.44) GRM5GRM1SIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL6957185 0.76 PPARG (0.44) PPARGPPARASIGMAR1
SCHEMBL17722891 0.75 GRM5 (0.58) GRM5GRM1PDK4GPR119
SCHEMBL6953065 0.74 CYP11B2 (0.36) GRM5GRM1PDK4GPR119
SCHEMBL6953740 0.73 NAMPT (0.36) GRM5GRM1PPARGPPARAPDK4
SCHEMBL31334406 0.73 GRM5 (0.55) GRM5GRM1PDK4GPR119
SCHEMBL6956024 0.73 GRM5 (0.35) GRM5GRM1PDK4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 — — EP disclosed
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